==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 23-FEB-06 2G5I . COMPND 2 MOLECULE: GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.NAKAMURA,M.YAO,I.TANAKA . 993 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 68 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 3 1 2 3 2 1 3 2 2 2 2 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 5 2 4 3 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M > 0 0 59 0, 0.0 3,-3.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -45.2 22.8 -15.5 39.9 2 2 A S T 3 + 0 0 105 1,-0.3 3,-0.5 2,-0.2 4,-0.1 0.757 360.0 19.9 -24.2 -67.7 25.5 -14.3 42.3 3 3 A I T > S+ 0 0 14 1,-0.2 3,-2.3 2,-0.1 -1,-0.3 0.470 96.3 113.5 -86.0 3.2 26.7 -11.5 40.0 4 4 A R T < S+ 0 0 13 -3,-3.7 -1,-0.2 1,-0.3 163,-0.2 0.559 83.6 38.8 -48.8 -9.2 23.3 -11.7 38.2 5 5 A Y T 3 S+ 0 0 59 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.488 86.6 115.3-120.8 -8.8 22.7 -8.3 39.6 6 6 A E < - 0 0 70 -3,-2.3 2,-0.2 1,-0.1 -3,-0.0 -0.228 67.5-113.4 -62.1 154.7 26.0 -6.5 39.3 7 7 A S >> - 0 0 20 1,-0.1 4,-3.7 211,-0.1 3,-0.5 -0.612 26.8-107.4 -89.2 151.0 26.2 -3.5 36.9 8 8 A V H 3> S+ 0 0 0 160,-0.4 4,-1.1 1,-0.3 5,-0.1 0.897 120.7 51.7 -40.2 -54.3 28.3 -3.7 33.7 9 9 A E H 3> S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.892 116.9 36.7 -55.0 -45.6 30.8 -1.3 35.3 10 10 A N H <> S+ 0 0 79 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.875 113.5 56.0 -76.8 -36.5 31.2 -3.4 38.5 11 11 A L H < S+ 0 0 2 -4,-3.7 -1,-0.2 2,-0.2 -2,-0.2 0.662 109.6 52.5 -67.6 -13.3 30.9 -6.7 36.7 12 12 A L H >X S+ 0 0 21 -4,-1.1 3,-3.0 -5,-0.4 4,-2.5 0.952 111.1 39.0 -83.5 -68.4 33.8 -5.5 34.6 13 13 A T H 3X S+ 0 0 57 -4,-1.8 4,-3.4 1,-0.3 5,-0.2 0.893 109.7 63.2 -47.2 -46.2 36.3 -4.4 37.2 14 14 A L H 3<>S+ 0 0 37 -4,-2.4 5,-1.6 1,-0.2 6,-1.5 0.660 112.5 37.2 -55.3 -16.3 35.4 -7.5 39.3 15 15 A I H X45S+ 0 0 2 -3,-3.0 3,-1.5 3,-0.2 -1,-0.2 0.761 111.9 56.1-101.7 -40.4 36.7 -9.5 36.3 16 16 A K H 3<5S+ 0 0 117 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.854 109.5 49.9 -59.3 -34.6 39.6 -7.2 35.5 17 17 A D T 3<5S- 0 0 102 -4,-3.4 -1,-0.3 -5,-0.3 -3,-0.1 0.457 112.0-124.3 -84.8 -3.1 40.7 -7.7 39.1 18 18 A K T < 5S+ 0 0 118 -3,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.862 75.0 122.1 64.0 40.6 40.4 -11.5 38.8 19 19 A K S > - 0 0 113 -2,-0.3 4,-2.4 1,-0.1 3,-1.0 -0.778 16.6-126.3 -99.8 140.8 36.0 -16.0 36.4 22 22 A P H 3> S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.860 112.4 49.1 -47.5 -45.7 34.5 -15.4 32.9 23 23 A S H 3> S+ 0 0 31 32,-0.3 4,-1.7 1,-0.2 33,-0.1 0.774 110.5 52.5 -69.4 -24.6 33.0 -18.9 32.7 24 24 A D H <> S+ 0 0 60 -3,-1.0 4,-3.2 2,-0.2 -1,-0.2 0.901 105.5 52.4 -76.0 -42.0 31.6 -18.4 36.2 25 25 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.947 114.5 43.9 -56.6 -46.7 29.9 -15.1 35.3 26 26 A V H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 5,-0.3 0.880 110.3 55.1 -64.2 -38.3 28.4 -17.1 32.4 27 27 A K H X S+ 0 0 75 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.897 109.8 48.5 -61.2 -39.1 27.7 -19.9 34.8 28 28 A D H >X S+ 0 0 22 -4,-3.2 4,-2.3 2,-0.2 3,-0.6 0.988 107.2 54.5 -63.0 -60.1 25.8 -17.4 36.9 29 29 A I H 3X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.3 3,-0.3 0.890 109.5 44.5 -38.3 -68.1 23.8 -15.9 34.0 30 30 A Y H 3X S+ 0 0 1 -4,-1.8 4,-3.2 1,-0.3 5,-0.3 0.826 109.1 57.9 -51.9 -35.1 22.3 -19.2 32.8 31 31 A D H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.3 3,-0.6 0.940 113.3 48.3 -48.5 -59.0 17.8 -17.5 33.3 34 34 A E H 3< S+ 0 0 102 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.829 120.0 40.4 -52.8 -34.6 17.0 -21.2 34.0 35 35 A E H 3< S+ 0 0 120 -4,-2.1 -1,-0.2 -3,-0.4 -2,-0.2 0.671 132.8 18.9 -89.7 -19.5 15.6 -20.2 37.4 36 36 A T H XX S+ 0 0 26 -4,-2.4 4,-2.0 -3,-0.6 3,-1.2 0.699 105.1 72.5-123.5 -31.6 13.8 -16.9 36.4 37 37 A D H 3X S+ 0 0 11 -4,-2.8 4,-1.8 -5,-0.4 6,-0.2 0.584 87.8 66.5 -67.7 -11.6 13.1 -16.7 32.7 38 38 A P H 34 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.804 110.8 37.1 -78.7 -23.9 10.3 -19.4 32.7 39 39 A T H <4 S+ 0 0 78 -3,-1.2 -2,-0.2 1,-0.0 103,-0.2 0.872 128.5 34.0 -86.8 -45.9 8.3 -17.0 34.8 40 40 A I H < S- 0 0 4 -4,-2.0 102,-2.0 101,-0.1 -3,-0.2 0.895 84.2-159.0 -76.6 -44.8 9.4 -13.8 33.0 41 41 A K < + 0 0 73 -4,-1.8 -4,-0.1 100,-0.2 82,-0.1 0.849 40.0 141.7 64.7 38.8 9.7 -15.3 29.5 42 42 A S + 0 0 0 115,-0.1 81,-3.2 80,-0.1 2,-0.1 0.802 52.8 66.8 -78.6 -32.1 12.1 -12.5 28.3 43 43 A F E +A 122 0A 0 79,-0.3 79,-0.2 -6,-0.2 3,-0.1 -0.441 49.8 176.0 -90.4 166.2 14.3 -14.8 26.3 44 44 A L E + 0 0 29 77,-2.8 2,-0.5 1,-0.4 78,-0.1 0.470 67.5 22.2-127.4 -87.4 13.8 -16.9 23.1 45 45 A A E S- 0 0 14 76,-0.3 76,-3.1 43,-0.2 -1,-0.4 -0.806 74.5-151.4 -92.7 126.9 16.6 -18.8 21.5 46 46 A L E -A 120 0A 80 -2,-0.5 74,-0.2 74,-0.2 3,-0.1 -0.715 15.1-164.5 -99.3 152.4 19.4 -19.5 23.9 47 47 A D > + 0 0 30 72,-2.3 4,-1.1 -2,-0.3 5,-0.1 -0.417 34.4 143.7-130.2 54.2 23.1 -19.9 23.0 48 48 A K H > + 0 0 79 2,-0.2 4,-2.7 1,-0.2 3,-0.4 0.935 68.3 51.2 -62.0 -51.3 24.5 -21.5 26.1 49 49 A E H > S+ 0 0 169 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 113.4 43.3 -55.0 -49.1 27.0 -23.8 24.5 50 50 A N H > S+ 0 0 106 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.725 113.3 55.6 -71.0 -19.7 28.7 -21.2 22.4 51 51 A A H X S+ 0 0 1 -4,-1.1 4,-2.4 -3,-0.4 -2,-0.2 0.946 107.9 45.2 -75.6 -52.2 28.6 -18.8 25.4 52 52 A I H >X S+ 0 0 56 -4,-2.7 4,-3.2 1,-0.2 3,-0.7 0.978 112.2 52.2 -52.2 -61.3 30.5 -21.2 27.7 53 53 A K H 3X S+ 0 0 119 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.859 110.5 49.5 -44.3 -40.7 33.0 -21.9 25.0 54 54 A K H 3X S+ 0 0 53 -4,-1.1 4,-2.0 2,-0.2 -1,-0.3 0.878 111.3 48.1 -69.6 -36.3 33.4 -18.1 24.7 55 55 A A H X S+ 0 0 118 -4,-1.5 4,-2.7 1,-0.3 3,-0.8 0.958 111.8 48.3 -52.5 -54.1 42.7 -18.1 29.4 61 61 A L H 3<>S+ 0 0 48 -4,-1.8 5,-1.9 1,-0.3 -1,-0.3 0.781 107.0 58.5 -57.8 -27.3 42.9 -14.5 28.3 62 62 A Q H ><5S+ 0 0 14 -4,-1.8 3,-0.6 -3,-0.3 -1,-0.3 0.863 109.0 43.8 -71.2 -35.4 42.2 -13.5 31.9 63 63 A A H <<5S+ 0 0 71 -4,-1.9 -2,-0.2 -3,-0.8 -1,-0.2 0.951 108.6 55.7 -72.9 -50.2 45.2 -15.5 33.1 64 64 A K T 3<5S- 0 0 125 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.361 111.9-121.0 -65.1 8.1 47.5 -14.2 30.3 65 65 A D T < 5S+ 0 0 117 -3,-0.6 2,-0.6 -5,-0.2 -3,-0.2 0.704 77.1 128.4 58.4 19.6 46.6 -10.7 31.5 66 66 A Q < + 0 0 100 -5,-1.9 2,-1.2 -6,-0.2 -1,-0.2 -0.468 20.1 150.6-104.9 61.1 45.3 -10.1 28.0 67 67 A M + 0 0 35 -2,-0.6 2,-0.2 -5,-0.2 5,-0.1 -0.627 19.0 168.3 -94.6 77.8 41.8 -8.8 28.9 68 68 A D + 0 0 113 -2,-1.2 3,-0.1 3,-0.1 2,-0.1 -0.616 24.8 71.8 -92.0 150.3 41.0 -6.4 26.0 69 69 A G S > S- 0 0 33 -2,-0.2 3,-1.0 1,-0.1 45,-0.1 -0.010 75.7-106.3 120.6 136.6 37.6 -4.9 25.2 70 70 A K T 3 S+ 0 0 70 1,-0.2 45,-0.1 -2,-0.1 -1,-0.1 0.522 123.6 23.1 -67.5 -3.8 35.1 -2.3 26.5 71 71 A L T > S+ 0 0 0 43,-1.4 3,-3.0 40,-0.1 -1,-0.2 0.131 81.6 176.0-150.0 24.2 33.0 -5.2 27.7 72 72 A F T < S- 0 0 7 -3,-1.0 44,-0.2 1,-0.3 43,-0.2 -0.037 76.5 -4.6 -39.1 122.7 35.3 -8.2 28.1 73 73 A G T 3 S+ 0 0 0 42,-2.2 -1,-0.3 1,-0.2 43,-0.2 0.431 94.9 141.2 70.7 -1.0 33.4 -11.2 29.6 74 74 A I < - 0 0 0 -3,-3.0 43,-3.7 41,-0.4 -1,-0.2 -0.623 51.0-125.1 -80.2 128.5 30.2 -9.2 30.0 75 75 A P E -b 117 0A 0 0, 0.0 2,-0.3 0, 0.0 94,-0.3 -0.314 30.0-167.7 -67.1 150.6 27.0 -11.1 29.2 76 76 A M E -b 118 0A 0 41,-2.5 43,-2.4 92,-0.1 44,-0.9 -1.000 16.2-153.5-147.2 145.5 24.6 -9.7 26.7 77 77 A G E -bc 120 170A 0 92,-1.5 94,-1.9 -2,-0.3 2,-0.4 -0.969 15.8-154.4-119.7 131.9 21.0 -10.2 25.5 78 78 A I E -bc 121 171A 0 42,-2.2 44,-4.9 -2,-0.4 2,-0.2 -0.845 21.6-113.0-111.1 142.8 19.9 -9.3 22.0 79 79 A K E > -b 122 0A 0 92,-0.9 3,-1.2 -2,-0.4 2,-0.5 -0.499 32.8-122.0 -68.5 130.9 16.4 -8.4 20.6 80 80 A D T 3 S+ 0 0 0 42,-3.2 11,-3.1 1,-0.3 12,-0.3 0.237 105.7 68.8 -64.5 17.0 15.3 -11.1 18.2 81 81 A N T 3 S+ 0 0 2 -2,-0.5 123,-2.2 10,-0.2 2,-0.5 0.007 84.5 88.1-118.4 24.9 14.8 -8.7 15.3 82 82 A I B < S-K 203 0B 0 -3,-1.2 121,-0.2 121,-0.2 8,-0.1 -0.968 88.3-113.1-126.1 113.9 18.6 -8.2 15.2 83 83 A I - 0 0 0 119,-2.8 22,-0.8 -2,-0.5 2,-0.5 -0.172 31.7-174.9 -48.9 125.5 20.6 -10.7 13.1 84 84 A T > - 0 0 3 20,-0.1 3,-2.4 -4,-0.1 4,-0.3 -0.950 33.4-115.3-126.4 103.6 22.9 -12.8 15.2 85 85 A N T 3 S- 0 0 85 -2,-0.5 17,-0.1 1,-0.3 19,-0.1 -0.059 89.4 -4.0 -45.4 130.7 25.0 -14.9 13.0 86 86 A G T 3 S+ 0 0 48 15,-1.4 -1,-0.3 17,-0.2 16,-0.1 0.528 109.6 96.5 64.1 8.9 24.4 -18.6 13.3 87 87 A L S < S- 0 0 23 -3,-2.4 2,-0.2 12,-0.0 -2,-0.1 0.787 89.6 -91.5 -89.7 -95.0 21.8 -18.4 16.1 88 88 A E - 0 0 62 -4,-0.3 2,-0.5 -43,-0.1 12,-0.3 -0.554 38.6-162.9 178.1 115.0 18.2 -18.5 15.0 89 89 A T + 0 0 1 10,-3.4 10,-0.2 -2,-0.2 -8,-0.1 -0.968 21.2 159.4-119.6 122.4 16.6 -15.1 14.4 90 90 A T > - 0 0 1 -2,-0.5 3,-1.4 -10,-0.3 6,-0.4 0.513 42.6-137.3-118.1 -8.8 12.8 -14.9 14.3 91 91 A C T 3 S- 0 0 0 -11,-3.1 36,-2.7 1,-0.3 37,-0.3 0.795 77.4 -71.1 52.3 20.0 11.8 -11.3 15.0 92 92 A A T 3 S+ 0 0 0 -12,-0.3 45,-1.4 34,-0.2 2,-0.4 0.912 105.5 124.2 62.2 48.1 9.3 -13.3 17.0 93 93 A S S X> S- 0 0 0 -3,-1.4 3,-2.7 43,-0.2 4,-0.6 -0.996 71.8-132.1-146.7 142.1 7.4 -14.7 14.1 94 94 A K G >4 S+ 0 0 70 256,-0.4 3,-1.9 -2,-0.4 257,-0.1 0.898 107.2 71.7 -46.4 -44.0 6.3 -18.0 12.6 95 95 A M G 34 S+ 0 0 0 255,-1.3 236,-1.2 1,-0.3 -1,-0.3 0.682 110.7 26.0 -47.9 -27.0 7.6 -16.4 9.4 96 96 A L G X4 S+ 0 0 0 -3,-2.7 3,-2.9 -6,-0.4 2,-0.3 0.263 80.1 138.7-125.3 12.4 11.2 -16.8 10.6 97 97 A E T << S+ 0 0 108 -3,-1.9 3,-0.1 -4,-0.6 -7,-0.1 -0.438 84.3 15.4 -60.5 119.2 11.0 -19.7 13.0 98 98 A G T 3 S+ 0 0 37 1,-0.3 2,-0.4 -2,-0.3 -1,-0.3 0.190 89.0 144.7 100.9 -15.8 14.1 -21.6 12.2 99 99 A F < - 0 0 2 -3,-2.9 -10,-3.4 -10,-0.2 -1,-0.3 -0.422 26.3-174.4 -64.1 117.6 15.7 -18.8 10.3 100 100 A V - 0 0 30 -2,-0.4 -15,-0.1 -12,-0.3 -1,-0.1 -0.937 21.1-133.1-116.9 105.0 19.5 -19.0 10.9 101 101 A P - 0 0 1 0, 0.0 -15,-1.4 0, 0.0 3,-0.0 -0.070 7.6-151.6 -56.0 154.7 21.3 -16.0 9.3 102 102 A I S S+ 0 0 22 -17,-0.1 2,-0.3 -16,-0.1 422,-0.2 -0.203 76.1 49.5-122.1 38.0 24.4 -16.3 7.3 103 103 A Y S S- 0 0 19 421,-0.1 2,-0.4 99,-0.0 -17,-0.2 -0.950 80.2-114.0-162.4 165.6 25.9 -12.9 8.0 104 104 A E - 0 0 33 -2,-0.3 2,-0.2 -20,-0.1 -20,-0.1 -0.872 22.8-124.7-113.3 146.5 26.5 -10.8 11.1 105 105 A S > - 0 0 0 -22,-0.8 4,-2.4 -2,-0.4 97,-0.2 -0.545 26.1-119.3 -81.6 153.7 24.9 -7.6 12.0 106 106 A T H > S+ 0 0 13 95,-1.6 4,-3.3 2,-0.2 5,-0.2 0.927 113.4 52.6 -62.9 -46.4 27.3 -4.7 12.7 107 107 A V H > S+ 0 0 2 94,-0.4 4,-3.0 1,-0.2 5,-0.2 0.949 113.4 48.5 -53.3 -43.4 26.3 -4.0 16.3 108 108 A M H > S+ 0 0 0 -25,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.889 109.0 49.7 -62.9 -42.4 26.9 -7.7 16.7 109 109 A E H X S+ 0 0 118 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.967 114.7 48.8 -60.4 -47.7 30.3 -7.6 15.0 110 110 A K H X S+ 0 0 61 -4,-3.3 4,-1.9 2,-0.2 -2,-0.2 0.933 111.3 43.8 -57.0 -58.3 31.1 -4.7 17.2 111 111 A L H ><>S+ 0 0 0 -4,-3.0 5,-1.2 1,-0.3 3,-0.8 0.968 112.9 53.4 -54.3 -53.7 30.1 -6.1 20.6 112 112 A H H ><5S+ 0 0 59 -4,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.889 105.7 55.0 -47.3 -40.9 31.8 -9.4 19.8 113 113 A K H 3<5S+ 0 0 156 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.916 106.0 51.5 -58.9 -40.9 34.9 -7.2 19.0 114 114 A E T <<5S- 0 0 29 -4,-1.9 -43,-1.4 -3,-0.8 -1,-0.3 0.285 119.2-113.8 -80.1 10.8 34.5 -5.8 22.6 115 115 A N T < 5 + 0 0 25 -3,-1.9 -42,-2.2 -4,-0.3 -41,-0.4 0.801 59.6 156.1 60.8 36.2 34.4 -9.4 24.0 116 116 A A < - 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0 0 28 132,-2.9 4,-1.9 -2,-0.2 -1,-0.1 -0.155 20.0-114.0 -67.9 169.6 -2.3 10.0 33.6 274 274 A D H > S+ 0 0 127 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.974 110.1 48.2 -72.8 -57.7 -2.4 11.7 36.9 275 275 A D H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.918 116.7 45.6 -51.0 -46.6 0.0 9.7 39.0 276 276 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.980 110.4 54.1 -59.4 -55.8 2.6 9.8 36.2 277 277 A K H X S+ 0 0 58 -4,-1.9 4,-1.8 128,-0.2 3,-0.3 0.914 109.4 47.8 -41.8 -58.5 2.0 13.5 35.7 278 278 A E H >X S+ 0 0 125 -4,-3.0 4,-1.8 1,-0.2 3,-1.1 0.955 108.7 54.5 -48.1 -61.1 2.7 14.1 39.4 279 279 A A H 3X S+ 0 0 11 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.838 109.2 47.1 -41.5 -48.3 5.9 12.0 39.3 280 280 A V H 3X S+ 0 0 0 -4,-2.3 4,-2.3 -3,-0.3 -1,-0.3 0.815 106.8 57.5 -69.0 -30.7 7.4 14.0 36.4 281 281 A Q H S+ 0 0 101 -4,-1.7 4,-4.8 2,-0.3 5,-0.5 0.981 110.2 55.0 -62.3 -53.6 11.9 20.0 40.8 286 286 A T H <5S+ 0 0 35 -4,-3.4 4,-0.3 1,-0.3 -1,-0.3 0.754 113.4 49.4 -50.6 -19.6 14.5 17.2 41.5 287 287 A L H <5S+ 0 0 2 -4,-2.0 5,-0.5 -5,-0.5 3,-0.4 0.899 113.6 39.8 -83.7 -49.3 15.8 18.9 38.4 288 288 A K H <5S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.808 107.7 63.3 -68.3 -31.6 15.6 22.5 39.8 289 289 A S T <5S+ 0 0 86 -4,-4.8 -1,-0.3 -5,-0.2 -3,-0.2 0.868 108.0 51.0 -58.6 -34.6 16.8 21.3 43.1 290 290 A L S + 0 0 0 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.671 17.8 176.4-126.6 71.3 5.7 21.4 21.0 300 300 A P G > S+ 0 0 66 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.745 75.9 52.1 -46.3 -40.3 2.3 22.1 19.3 301 301 A N G > S+ 0 0 29 83,-0.2 3,-2.3 1,-0.2 4,-0.2 0.528 77.6 100.5 -82.8 -4.1 2.5 19.3 16.7 302 302 A T G X S+ 0 0 3 -3,-2.1 3,-1.9 1,-0.3 4,-0.3 0.851 73.3 65.0 -48.3 -36.3 3.3 16.7 19.4 303 303 A K G < S+ 0 0 127 -3,-0.7 -1,-0.3 1,-0.3 3,-0.2 0.740 95.1 57.5 -60.9 -25.3 -0.3 15.6 19.2 304 304 A F G <> S+ 0 0 11 -3,-2.3 4,-1.6 1,-0.2 5,-0.3 0.283 80.3 99.8 -89.3 10.4 0.1 14.4 15.6 305 305 A G H <> S+ 0 0 1 -3,-1.9 4,-3.0 -4,-0.2 5,-0.2 0.990 79.9 42.5 -57.1 -72.4 2.9 12.0 16.6 306 306 A I H > S+ 0 0 17 -4,-0.3 4,-3.8 1,-0.2 5,-0.2 0.873 115.3 49.2 -40.4 -58.9 1.1 8.7 16.8 307 307 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.950 115.5 40.6 -50.8 -62.6 -0.9 9.2 13.6 308 308 A S H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 5,-0.4 0.951 117.0 51.3 -53.4 -51.5 1.9 10.2 11.3 309 309 A Y H X S+ 0 0 5 -4,-3.0 4,-3.5 -5,-0.3 5,-0.4 0.962 108.3 52.0 -46.3 -62.6 4.1 7.6 12.9 310 310 A Y H X S+ 0 0 0 -4,-3.8 4,-2.1 -5,-0.2 -1,-0.2 0.828 115.8 40.6 -43.5 -45.3 1.5 5.0 12.3 311 311 A V H X S+ 0 0 1 -4,-2.3 4,-3.1 -3,-0.2 5,-0.3 0.980 115.8 45.7 -73.4 -59.2 1.3 5.9 8.7 312 312 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.922 119.1 45.5 -50.2 -45.8 4.9 6.4 7.8 313 313 A A H X S+ 0 0 0 -4,-3.5 4,-3.8 -5,-0.4 -1,-0.2 0.924 114.5 44.5 -64.2 -49.3 5.8 3.2 9.6 314 314 A S H X S+ 0 0 0 -4,-2.1 4,-4.0 -5,-0.4 48,-0.3 0.916 114.9 50.3 -63.0 -43.9 3.0 1.0 8.2 315 315 A S H X S+ 0 0 0 -4,-3.1 4,-1.1 2,-0.2 -2,-0.2 0.979 116.4 40.5 -57.4 -57.5 3.7 2.3 4.7 316 316 A E H >X S+ 0 0 2 -4,-2.7 4,-3.0 -5,-0.3 3,-1.3 0.946 115.8 50.6 -57.2 -49.0 7.4 1.7 5.0 317 317 A A H 3X S+ 0 0 0 -4,-3.8 4,-2.3 1,-0.3 5,-0.4 0.966 99.3 66.7 -50.6 -55.4 6.8 -1.6 6.8 318 318 A S H 3< S+ 0 0 0 -4,-4.0 -1,-0.3 1,-0.2 4,-0.2 0.794 114.6 30.4 -33.5 -41.5 4.4 -2.5 3.9 319 319 A S H XX S+ 0 0 0 -3,-1.3 3,-1.9 -4,-1.1 4,-0.6 0.926 113.3 57.4 -89.2 -52.0 7.5 -2.5 1.8 320 320 A N H 3< S+ 0 0 5 -4,-3.0 211,-0.2 -114,-0.3 -2,-0.2 0.646 112.1 47.2 -56.0 -12.1 10.3 -3.6 4.1 321 321 A L T >< S+ 0 0 0 -4,-2.3 3,-1.7 -5,-0.3 -1,-0.3 0.549 85.3 85.7-106.0 -9.1 8.2 -6.8 4.8 322 322 A S T <4 S+ 0 0 1 -3,-1.9 -2,-0.1 -5,-0.4 -1,-0.1 0.773 74.1 76.6 -61.7 -26.1 7.3 -7.8 1.2 323 323 A R T 3< S+ 0 0 11 -4,-0.6 2,-0.8 250,-0.2 -1,-0.3 0.648 74.7 90.4 -61.7 -14.1 10.6 -9.6 0.9 324 324 A F < + 0 0 2 -3,-1.7 6,-0.1 1,-0.2 -228,-0.0 -0.766 37.2 127.1 -88.7 112.3 9.2 -12.4 3.0 325 325 A D S S- 0 0 2 -2,-0.8 -1,-0.2 4,-0.4 21,-0.1 0.105 74.5-114.0-148.9 15.7 7.6 -15.0 0.7 326 326 A G S S+ 0 0 2 3,-0.5 651,-0.4 -231,-0.1 4,-0.1 0.568 86.4 112.5 58.1 12.8 9.3 -18.1 1.9 327 327 A I S S+ 0 0 5 2,-0.1 658,-0.2 649,-0.1 651,-0.2 0.830 92.4 15.8 -83.4 -32.8 11.1 -18.6 -1.4 328 328 A R S S- 0 0 5 1,-0.4 647,-0.3 648,-0.1 2,-0.3 0.608 137.3 -12.4-112.3 -19.1 14.7 -18.0 -0.1 329 329 A Y S S+ 0 0 2 2,-0.1 -3,-0.5 647,-0.1 -1,-0.4 -0.950 97.8 34.0-175.8 155.9 14.1 -18.3 3.7 330 330 A G S S+ 0 0 25 645,-0.6 2,-0.4 -2,-0.3 -234,-0.2 -0.631 96.2 3.7 96.3-153.0 11.4 -18.5 6.3 331 331 A Y - 0 0 56 -236,-1.2 2,-0.6 -2,-0.2 19,-0.1 -0.603 58.2-166.8 -78.9 125.3 7.9 -20.0 6.2 332 332 A H - 0 0 15 -2,-0.4 2,-0.4 17,-0.1 -6,-0.1 -0.944 20.7-130.1-115.8 115.6 7.0 -21.9 3.0 333 333 A S - 0 0 1 -2,-0.6 3,-0.3 9,-0.4 13,-0.2 -0.487 16.0-162.2 -68.1 122.0 3.3 -22.8 2.5 334 334 A K S S+ 0 0 165 -2,-0.4 2,-3.3 1,-0.2 -1,-0.1 0.894 78.4 78.1 -69.5 -47.1 3.1 -26.5 1.6 335 335 A E S S+ 0 0 100 1,-0.1 2,-1.1 6,-0.1 -1,-0.2 0.080 76.2 161.8 -61.5 35.4 -0.5 -26.6 0.1 336 336 A A + 0 0 29 -2,-3.3 -1,-0.1 -3,-0.3 -2,-0.0 -0.446 15.6 136.4 -58.0 72.4 1.4 -25.0 -2.8 337 337 A H + 0 0 145 -2,-1.1 652,-0.3 650,-0.1 651,-0.3 0.955 65.9 24.6 -97.3 -41.8 -0.3 -25.2 -6.2 338 338 A S S > S- 0 0 10 649,-0.1 4,-1.0 650,-0.1 653,-0.1 -0.352 74.7-115.8-104.8-173.4 0.1 -21.8 -8.0 339 339 A L H > S+ 0 0 21 651,-1.4 4,-1.6 2,-0.2 5,-0.2 0.857 114.2 55.8 -89.3 -43.2 2.6 -19.0 -7.7 340 340 A E H >> S+ 0 0 30 650,-0.9 4,-2.9 1,-0.2 3,-0.7 0.955 108.7 49.8 -52.2 -51.5 0.1 -16.5 -6.4 341 341 A E H 3>>S+ 0 0 40 1,-0.3 4,-3.9 2,-0.2 5,-0.7 0.921 101.2 61.3 -52.6 -51.2 -0.8 -18.9 -3.6 342 342 A L H 3X5S+ 0 0 1 -4,-1.0 4,-1.2 1,-0.2 -9,-0.4 0.872 115.5 35.3 -44.1 -42.5 2.9 -19.4 -2.7 343 343 A Y H - 0 0 22 -2,-0.3 4,-2.3 -226,-0.1 5,-0.2 -0.394 32.4 -97.0 -84.6 165.3 0.2 -12.3 12.8 353 353 A K H > S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.931 122.2 46.2 -44.3 -63.2 -3.0 -10.3 12.7 354 354 A E H >> S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.924 111.6 50.5 -48.0 -56.6 -1.3 -7.0 13.9 355 355 A V H 3> S+ 0 0 1 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.864 112.6 48.4 -52.5 -38.3 1.6 -7.3 11.5 356 356 A K H 3X S+ 0 0 32 -4,-2.3 4,-1.6 -3,-0.4 -1,-0.3 0.787 106.0 56.3 -75.2 -27.1 -0.9 -7.9 8.6 357 357 A R H X S- 0 0 4 -4,-1.1 3,-2.1 -3,-0.4 4,-1.2 -0.195 84.9 -82.4 -55.6 140.5 -1.7 2.9 -3.2 368 368 A S T 34 S+ 0 0 99 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.112 116.6 20.4 -46.4 128.0 -2.4 5.1 -6.2 369 369 A G T 34 S+ 0 0 68 -3,-0.1 4,-0.3 -4,-0.1 -1,-0.3 -0.157 124.1 55.0 102.4 -37.6 -5.0 7.8 -5.4 370 370 A Y T <> S+ 0 0 63 -3,-2.1 4,-1.8 -6,-0.2 5,-0.4 0.584 80.2 91.9-103.0 -12.5 -4.4 7.6 -1.6 371 371 A Y T ><>S+ 0 0 36 -4,-1.2 5,-0.9 -5,-0.3 3,-0.7 0.933 90.1 40.8 -46.1 -64.6 -0.7 8.2 -1.6 372 372 A D T 34>S+ 0 0 98 1,-0.2 5,-1.8 4,-0.2 -1,-0.2 0.836 115.0 51.2 -56.6 -39.0 -0.8 12.1 -1.3 373 373 A A T 345S+ 0 0 55 -4,-0.3 -1,-0.2 3,-0.1 -2,-0.2 0.751 128.9 14.6 -73.8 -23.5 -3.6 12.1 1.3 374 374 A Y T 5S+ 0 0 3 -10,-1.2 4,-2.6 -4,-0.5 3,-0.4 0.986 128.8 36.9 -56.6 -74.6 1.7 8.8 3.1 376 376 A K H >X S+ 0 0 52 -4,-2.0 4,-1.7 -3,-0.4 3,-0.9 0.957 104.4 54.6 -67.6 -51.9 4.9 16.5 5.9 381 381 A V H 3X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.3 -1,-0.2 0.867 105.0 57.3 -49.2 -35.6 3.4 16.3 9.4 382 382 A R H 3X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 3,-0.3 0.912 100.9 55.7 -61.8 -41.2 6.7 14.8 10.2 383 383 A T H X S+ 0 0 141 -4,-2.1 3,-3.1 1,-0.2 4,-0.5 0.946 113.3 47.4 -44.1 -66.8 12.9 26.0 17.3 392 392 A V H >X S+ 0 0 12 -4,-1.1 3,-1.8 -5,-0.4 4,-1.1 0.829 105.1 59.4 -45.3 -43.1 13.0 24.9 20.9 393 393 A F H 3< S+ 0 0 20 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.600 91.3 70.6 -67.7 -7.0 16.6 23.8 20.7 394 394 A E H << S+ 0 0 152 -3,-3.1 -1,-0.3 -4,-0.6 -2,-0.2 0.760 114.5 25.9 -76.6 -24.8 17.5 27.3 19.7 395 395 A N H << S+ 0 0 103 -3,-1.8 2,-0.2 -4,-0.5 -2,-0.2 0.429 124.0 45.2-117.1 -2.9 16.8 28.3 23.3 396 396 A Y < - 0 0 23 -4,-1.1 -135,-0.2 1,-0.1 3,-0.1 -0.784 58.0-141.6-135.3 179.2 17.4 25.1 25.2 397 397 A D S S+ 0 0 51 -137,-3.4 61,-0.7 1,-0.4 2,-0.3 0.674 82.4 0.5-112.0 -30.2 19.8 22.1 25.6 398 398 A V E -hI 261 457A 0 -138,-1.2 -136,-1.5 59,-0.2 2,-0.4 -0.967 62.7-126.1-153.8 166.0 17.4 19.2 26.2 399 399 A V E -hI 262 456A 0 57,-1.4 57,-2.7 -2,-0.3 2,-0.3 -0.967 23.8-166.7-122.0 135.4 13.7 18.4 26.4 400 400 A V E + I 0 455A 2 -138,-1.8 55,-0.2 -2,-0.4 -133,-0.1 -0.830 24.5 121.7-120.3 160.9 12.0 16.6 29.3 401 401 A G E - I 0 454A 1 53,-1.2 53,-3.0 -2,-0.3 -133,-0.1 -0.904 65.3 -54.7 166.8 171.8 8.7 15.0 29.9 402 402 A P E - I 0 453A 0 0, 0.0 51,-0.3 0, 0.0 -125,-0.0 -0.371 39.4-140.2 -68.7 153.8 7.3 11.6 30.9 403 403 A T S S+ 0 0 1 49,-4.3 24,-0.2 1,-0.2 50,-0.1 0.852 85.8 23.2 -80.8 -37.5 8.4 8.7 28.7 404 404 A A S S- 0 0 1 48,-0.5 48,-0.2 23,-0.1 -1,-0.2 -0.975 74.4-126.9-131.8 146.6 5.0 7.0 28.7 405 405 A P S S+ 0 0 4 0, 0.0 -132,-2.9 0, 0.0 -128,-0.2 0.841 93.0 7.6 -56.8 -38.3 1.4 8.4 29.2 406 406 A T S S- 0 0 45 -134,-0.2 2,-0.3 18,-0.1 46,-0.2 -0.643 90.0 -84.0-131.8-171.8 0.7 5.9 31.9 407 407 A T S S- 0 0 16 1,-0.2 44,-0.1 -2,-0.2 -222,-0.1 -0.677 72.1 -64.7 -95.2 156.3 2.3 3.2 33.9 408 408 A A - 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0 0 39 -3,-1.9 3,-0.1 -4,-0.1 -115,-0.1 -0.741 66.5-142.2 -88.2 114.0 32.9 12.0 -22.9 778 293 B P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.200 41.8 -71.5 -68.8 166.6 35.0 11.2 -26.0 779 294 B E - 0 0 58 1,-0.1 5,-0.1 4,-0.1 0, 0.0 -0.436 61.6-127.5 -59.4 115.2 34.3 12.9 -29.3 780 295 B L >> - 0 0 39 -2,-0.3 4,-1.7 -3,-0.1 3,-1.3 -0.308 22.0 -98.6 -70.2 152.1 31.0 11.3 -30.5 781 296 B P H 3> S+ 0 0 10 0, 0.0 4,-3.1 0, 0.0 3,-0.4 0.808 118.8 52.3 -32.2 -65.6 30.6 9.6 -33.9 782 297 B D H 3> S+ 0 0 75 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.856 112.1 47.6 -47.0 -41.1 28.8 12.5 -35.8 783 298 B E H <> S+ 0 0 105 -3,-1.3 4,-1.6 2,-0.2 -1,-0.3 0.888 116.1 44.4 -69.0 -38.6 31.6 14.9 -34.7 784 299 B R H X S+ 0 0 7 -4,-1.7 4,-2.6 -3,-0.4 -2,-0.2 0.973 111.4 51.2 -68.3 -56.7 34.3 12.4 -35.8 785 300 B K H X S+ 0 0 62 -4,-3.1 4,-3.4 1,-0.2 5,-0.3 0.911 108.1 52.7 -46.4 -53.6 32.7 11.4 -39.1 786 301 B A H X S+ 0 0 47 -4,-1.9 4,-3.2 -5,-0.3 -1,-0.2 0.950 110.1 49.5 -48.9 -53.3 32.3 15.1 -40.1 787 302 B K H X>S+ 0 0 68 -4,-1.6 4,-1.1 1,-0.2 5,-0.8 0.969 112.9 46.4 -48.0 -65.5 36.0 15.5 -39.3 788 303 B Y H >X5S+ 0 0 3 -4,-2.6 6,-1.2 1,-0.2 4,-1.0 0.891 116.4 43.9 -41.9 -58.5 36.9 12.5 -41.4 789 304 B V H 3<5S+ 0 0 44 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 126.3 29.5 -60.3 -41.0 34.8 13.4 -44.4 790 305 B N H 3<5S+ 0 0 123 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.143 129.6 30.0-112.1 23.0 35.7 17.1 -44.4 791 306 B E H <<5S+ 0 0 143 -4,-1.1 -3,-0.2 -3,-0.8 -2,-0.1 0.490 122.1 39.3-142.1 -39.9 39.3 17.2 -43.1 792 307 B L S < - 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